9M59

Cu/Zn-superoxide dismutase from Deinococcus radiodurans (Calcium-bound)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-27
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.900
Spacegroup name	P 41
Unit cell lengths	133.278, 133.278, 76.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.917 - 1.900
R-factor	0.197
Rwork	0.196
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.866
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.917	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.043	0.939
Rmeas	0.046	1.004
Rpim	0.016	0.353
Number of reflections	105657	10494
<I/σ(I)>	24.82	1.99
Completeness [%]	100.0	99.99
Redundancy	7.7	8
CC(1/2)	1.000	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	1.6M Lithium Sulfate, 0.1M Tris, pH 8.0